5355
  -OEChem-05092415342D

 46 47  0     1  0  0  0  0  0999 V2000
    6.3301   -3.2609    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301   -4.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -2.3949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    2.7336    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    0.2391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.7609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7391    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2437    1.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    2.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    2.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6915    3.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8994    4.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8102    2.0768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9337    0.7954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7453    0.9679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3277    1.6148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4144    2.4399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792    3.1937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2212    3.5312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.8217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.1314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167    3.6350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3630    2.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5059    4.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0283    4.9874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2930    4.5098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.4509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.0709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.8809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.3809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.4509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.2240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.2978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  8  1  0  0  0  0
  1 20  1  0  0  0  0
  2 16  2  0  0  0  0
  3 19  1  0  0  0  0
  3 23  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  7 35  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 39  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5355

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
505

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzOABAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgQQQAAADCzB2AYyB4PABAKIAiFSEHDCCBAkIAAIiJkODMgMZjaEtRuUMWhm9hGIqYeYyCCOAIAAgAAIAAABAAEAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoyl-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide

> <PUBCHEM_IUPAC_NAME>
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoyl-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoyl-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
BGRJTUBHPOOWDU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.6

> <PUBCHEM_EXACT_MASS>
341.14092740

> <PUBCHEM_MOLECULAR_FORMULA>
C15H23N3O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
341.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

> <PUBCHEM_CACTVS_TPSA>
110

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
341.14092740

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
17  18  8
17  19  8
18  20  8
19  21  8
20  22  8
21  22  8
9  13  3

$$$$